#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/82/9008250.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008250
loop_
_publ_author_name
'Venetopoulos, C. C.'
'Rentzeperis, P. J.'
_publ_section_title
;
 The crystal structure of laurionite, Pb(OH)Cl
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              246
_journal_page_last               259
_journal_volume                  141
_journal_year                    1975
_chemical_formula_sum            'Cl H O Pb'
_chemical_name_mineral           Laurionite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6987
_cell_length_b                   4.0203
_cell_length_c                   7.1110
_cell_formula_units_Z            4
_cell_volume                     277.270
_database_code_amcsd             0010776
_exptl_crystal_density_diffrn    6.220
_cod_original_formula_sum        'Pb O H Cl'
_cod_database_code               9008250
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
1/2-x,y,1/2+z
1/2+x,-y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.02287 0.00917 0.01768 0.00000 0.00943 0.00000
O 0.01191 0.00041 0.03100 0.00000 0.00210 0.00000
Cl 0.01763 0.01097 0.01537 0.00000 0.00105 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb 0.08770 0.25000 0.79736 0.01672
O 0.04220 0.25000 0.12230 0.01469
H 0.11000 0.25000 0.22300 0.03800
Cl 0.82020 0.25000 0.55640 0.01520
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010776
